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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	C-C chemokine receptor type 4
Species	Homo sapiens (Human)
Gene	CCR4
Synonym	K5-5 ChemR13 chemokine (C-C motif) receptor 4 CD194 CCR4 CCR-4 CC-CKR-4 CC CKR4 C-C CKR-4 C-C chemokine receptor 4 [ Show all ]
Disease	Asthma Atopic dermatitis Autoimmune diabetes
Length	360
Amino acid sequence	MNPTDIADTTLDESIYSNYYLYESIPKPCTKEGIKAFGELFLPPLYSLVFVFGLLGNSVVVLVLFKYKRLRSMTDVYLLNLAISDLLFVFSLPFWGYYAADQWVFGLGLCKMISWMYLVGFYSGIFFVMLMSIDRYLAIVHAVFSLRARTLTYGVITSLATWSVAVFASLPGFLFSTCYTERNHTYCKTKYSLNSTTWKVLSSLEINILGLVIPLGIMLFCYSMIIRTLQHCKNEKKNKAVKMIFAVVVLFLGFWTPYNIVLFLETLVELEVLQDCTFERYLDYAIQATETLAFVHCCLNPIIYFFLGEKFRKYILQLFKTCRGLFVLCQYCGLLQIYSADTPSSSYTQSTMDHDLHDAL
UniProt	P51679
Protein Data Bank	N/A
GPCR-HGmod model	P51679
3D structure model	This predicted structure model is from GPCR-EXP P51679.
BioLiP	N/A
Therapeutic Target Database	T06955
ChEMBL	CHEMBL2414
IUPHAR	61
DrugBank	N/A

Ligand

Name	CHEMBL2018963
Molecular formula	C22H21ClN4O4S2
IUPAC name	3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N,N-dimethylbenzamide
Molecular weight	505.004
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.4
Synonyms	BDBM50380885 SCHEMBL358805
Inchi Key	BLKQZCAICBYWEJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21ClN4O4S2/c1-26(2)22(28)15-7-4-6-14(12-15)13-27-16-8-5-9-17(31-3)20(16)21(24-27)25-33(29,30)19-11-10-18(23)32-19/h4-12H,13H2,1-3H3,(H,24,25)
PubChem CID	58054487
ChEMBL	CHEMBL2018963
IUPHAR	N/A
BindingDB	50380885
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	416.87 nM	PMID22437117	BindingDB,ChEMBL
Ki	1258.93 nM	PMID22437117	BindingDB,ChEMBL

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